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	hartrees
Energy at 0K	-304.749834
Energy at 298.15K	-304.751973
HF Energy	-304.749834
Nuclear repulsion energy	121.157392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1328	1313	174.48
2	A₁	801	792	201.47
3	A₁	541	535	77.62
4	B₁	722	714	8.20
5	B₂	1840	1819	419.28
6	B₂	525	519	3.42

Atom	y (Å)	z (Å)
N1	0.000	-0.213
F2	0.000	1.314
O3	1.102	-0.646
O4	-1.102	-0.646

	N1	F2	O3	O4
N1		1.5273	1.1837	1.1837
F2	1.5273		2.2484	2.2484
O3	1.1837	2.2484		2.2036
O4	1.1837	2.2484	2.2036

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	O3	111.441		F2	N1	O4	111.441
O3	N1	O4	137.119

All results from a given calculation for FNO₂ (Nitryl fluoride)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	0.921
2	F	-0.291
3	O	-0.315
4	O	-0.315

	x	y	z	Total
	0.000	0.000	-0.894	0.894
CHELPG
AIM
ESP

<r²>	55.329
(<r²>)^1/2	7.438

All results from a given calculation for FNO2 (Nitryl fluoride)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for FNO₂ (Nitryl fluoride)